sodium;hydride;3-hydroxy-4-sulfanylbenzenesulfonic acid

C6H7NaO4S2 — CID 173214888

IUPACsodium;hydride;3-hydroxy-4-sulfanylbenzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(S)c(O)c1.[H-].[Na+]
InChIInChI=1S/C6H6O4S2.Na.H/c7-5-3-4(12(8,9)10)1-2-6(5)11;;/h1-3,7,11H,(H,8,9,10);;/q;+1;-1
InChIKeyGPJPQXDFQOUOAO-UHFFFAOYSA-N
MW230.24 g/mol
LogP-1.96
Rot. Bonds1

About sodium;hydride;3-hydroxy-4-sulfanylbenzenesulfonic acid

sodium;hydride;3-hydroxy-4-sulfanylbenzenesulfonic acid (PubChem CID 173214888) has the molecular formula C6H7NaO4S2 and a molecular weight of 230.24 g/mol. Its IUPAC name is sodium;hydride;3-hydroxy-4-sulfanylbenzenesulfonic acid.

Molecular Properties

Compound Namesodium;hydride;3-hydroxy-4-sulfanylbenzenesulfonic acid
PubChem CID173214888
Molecular FormulaC6H7NaO4S2
Molecular Weight230.24 g/mol
Exact Mass229.97
IUPAC Namesodium;hydride;3-hydroxy-4-sulfanylbenzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(S)c(O)c1.[H-].[Na+]
InChIInChI=1S/C6H6O4S2.Na.H/c7-5-3-4(12(8,9)10)1-2-6(5)11;;/h1-3,7,11H,(H,8,9,10);;/q;+1;-1
InChIKeyGPJPQXDFQOUOAO-UHFFFAOYSA-N
XLogP-1.96
TPSA74.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-1.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid
CID 141399633
disodium;hydride;2-hydroxy-5-sulfobenzoic acid
CID 173215805
sodium;hydride;2-hydroxy-5-sulfobenzoic acid;hydrochloride
CID 175438165
sodium;anthracene-2-sulfonic acid;hydride
CID 173016087
disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid
CID 173012755
disodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid
CID 174552930
disodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride
CID 173012475
3,4,5-trihydroxybenzenesulfonic acid
CID 15787789
6-sulfanylnaphthalene-2-sulfonic acid
CID 57069240
sodium;4,5-dihydroxybenzene-1,3-disulfonic acid;hydride
CID 172995228
6,7-dihydroxyanthracene-2-sulfonic acid
CID 141399641
CID 87126465
CID 87126465

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3-hydroxy-4-sulfanylbenzenesulfonic acid?
The IUPAC name of sodium;hydride;3-hydroxy-4-sulfanylbenzenesulfonic acid (CID 173214888) is sodium;hydride;3-hydroxy-4-sulfanylbenzenesulfonic acid.
What is the SMILES notation for sodium;hydride;3-hydroxy-4-sulfanylbenzenesulfonic acid?
The canonical SMILES for sodium;hydride;3-hydroxy-4-sulfanylbenzenesulfonic acid is O=S(=O)(O)c1ccc(S)c(O)c1.[H-].[Na+].
What is the InChIKey of sodium;hydride;3-hydroxy-4-sulfanylbenzenesulfonic acid?
The InChIKey is GPJPQXDFQOUOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4S2.Na.H/c7-5-3-4(12(8,9)10)1-2-6(5)11;;/h1-3,7,11H,(H,8,9,10);;/q;+1;-1.
What are the key properties of sodium;hydride;3-hydroxy-4-sulfanylbenzenesulfonic acid?
sodium;hydride;3-hydroxy-4-sulfanylbenzenesulfonic acid has a molecular weight of 230.24 g/mol, XLogP of -1.96, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3-hydroxy-4-sulfanylbenzenesulfonic acid is sourced from PubChem (CID 173214888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).